Molecule

ID:17578

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O
Molecular Mass
184.2786
Exact Mass
184.15756327
Charge
0
InChI
InChI=1S/C10H20N2O/c1-2-4-11-10(3-1)9-12-5-7-13-8-6-12/h10-11H,1-9H2
InChIKey
CTJYUVGVMCELLF-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CN1CCOCC1
Isomeric Smiles
C1(CN2CCOCC2)CCCCN1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.846287
LogD (pH = 7.4)
-1.9908009
Log P
0.5173988
Molar Refractivity
53.5992
Polarizability
21.43625
Polar Surface Area
24.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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